Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C23H19F2N5O4/c1-3-34-23(32)19-12-29(11-14-8-17(24)10-18(25)9-14)27-21(19)30-13-20(26-28-30)15-4-6-16(7-5-15)22(31)33-2/h4-10,12-13H,3,11H2,1-2H3
SMILES CCOC(=O)c1cn(nc1n1nnc(c1)c1ccc(cc1)C(=O)OC)Cc1cc(F)cc(c1)F
InChI Key WJPCYFBJDHGFTN-UHFFFAOYSA-N
Molecular Formula C23H19F2N5O4
Exact Mass 467.425 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WJPCYFBJDHGFTN-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/WJPCYFBJDHGFTN-UHFFFAOYSA-N/CHMO0000597
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 1-[(3,5-difluorophenyl)methyl]-3-[4-(4-methoxycarbonylphenyl)triazol-1-yl]pyrazole-4-carboxylate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459353 pubchem
    The data in this table is sourced from UniChem at EBI.